Structure of PDB 8xxa Chain A Binding Site BS06

Receptor Information
>8xxa Chain A (length=620) Species: 1295135 (Rhodothermus marinus JCM 9785) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEDGINYDPNDPTRVTLSLYAPGKSFVYVIGDFTNWEVDPAYFMYRDAPR
PDSVHWWITIEGLTPGQEYAFQYFIDGELRLADLFAHKVLDPWHDPFIPS
STYPNLKPYPTGKTEGIVAVLQPGAPQYQWQVTDFERPPAHELVIYELLI
RDFVARHDYVTLIDTLDYLERLGVNAIELMPVAEFDGNISWGYNPAFHLA
LDKYYGPADDLKRFVDECHRRGIAVILDVVYNHATGNSPLVQLYGPTADN
PFINIPARHPFNVFYDLNHEHPYIQYWLDRANRYWLEEFRVDGFRFALSK
GFTQKYTDDDVGAWSAYDASRIRLLKRMADAIWAVDSTAYIILEHFADNQ
EEKELAAYGQDRGRAGMLLWHNLNRAFSQSVMGYLNDPNFSSDLTTIYYK
NRGFPTPNLIAYMESHDEQWLMYRMRAYGARQGAYDVRSLPVALDRMKLA
GAFFFTVPGPKMIWQFGELGYGYGERGEQCLEGTGDSCPSIAPGRIDPKP
IRWDYRNDPLRMKLYRTWAELLRLRREHAVFRSPETQVRMRLQHGVPGRW
ISLTHPELSVVVVGNFGLEPLVVTPTFPQTGTWYDYFNGDSLVVDDPNTG
IELLPGEFRLYTNRYVGQAE
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain8xxa Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8xxa Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus
Resolution1.55 Å
Binding residue
(original residue number in PDB)		Q645 M648 Y650 D653
Binding residue
(residue number reindexed from 1)		Q379 M382 Y384 D387
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:8xxa, PDBe:8xxa, PDBj:8xxa
PDBsum8xxa
PubMed38641972
UniProtD0MDJ8

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